3-[(4-dimethylaminophenyl)carbonylamino]propyl-dimethyl-tetratriacontan-17-yl-azanium

Systemtic Name: 3-[(4-dimethylaminophenyl)carbonylamino]propyl-dimethyl-tetratriacontan-17-yl-azanium Openeye Name: 3-[[4-(dimethylamino)benzoyl]amino]propyl-(1-hexadecyloctadecyl)-dimethyl-ammonium CAS Name: 3-[[(4-dimethylaminophenyl)-oxomethyl]amino]propyl-dimethyl-tetratriacontan-17-ylammonium IUPAC Name: 3-[[4-(dimethylamino)benzoyl]amino]propyl-dimethyl-tetratriacontan-17-ylazanium Traditional Name: 1-cetyloctadecyl-[3-[[4-(dimethylamino)benzoyl]amino]propyl]-dimethyl-ammonium Formula: C48H92N3O+ MolecularWeight: 727.26358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)[N+](C)(C)CCCNC(=O)C1=CC=C(C=C1)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)[N+](C)(C)CCCNC(=O)C1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C48H91N3O/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-47(37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)51(5,6)44-36-43-49-48(52)45-39-41-46(42-40-45)50(3)4/h39-42,47H,7-38,43-44H2,1-6H3/p+1